methyl 3-phenyl-2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 2-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 3-phenyl-2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]propionic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C)C

InChI

InChI=1S/C26H34N2O5S/c1-17-15-18(2)20(4)24(19(17)3)34(31,32)28-13-11-22(12-14-28)25(29)27-23(26(30)33-5)16-21-9-7-6-8-10-21/h6-10,15,22-23H,11-14,16H2,1-5H3,(H,27,29)